SCHEMBL5015113

SCHEMBL5015113

Cc1cc(CC(C)C)c(C(C)C)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.42
KDM4A O75164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
MAPT P10636 2/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
VDR P11473 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5015064 0.91 KCNA5 (0.46) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL14036620 0.76 KCNA5 (0.45) KCNA5KDM4ATRPV1
SCHEMBL5739222 0.76 ALDH1A1 (0.40) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL14036623 0.76 KDM4A (0.44) KCNA5KDM4AKDM4ELMNAMAPT
SCHEMBL27723354 0.75 KCNA5 (0.39) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL5460255 0.75 EPHX2 (0.42) KCNA5KDM4AKDM4ELMNAMAPT
SCHEMBL18676832 0.74 KCNA5 (0.43) KCNA5KDM4AKDM4ELMNACACNA1H
SCHEMBL5015048 0.73 SLC6A4 (0.36)
SCHEMBL12743180 0.73 KCNA5 (0.55) KCNA5KDM4AMAPTRPS6KA1TP53
SCHEMBL13761066 0.73 KDM4A (0.45) KCNA5KDM4AKDM4ELMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed